# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/. 
# 
# Audit and citation data items have may been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cuyo
_database_code_depnum_ccdc_archive 'CCDC 1009779'
_audit_update_record             
;
2014-06-23 deposited with the CCDC.
2014-11-24 downloaded from the CCDC.
;
_audit_creation_date             2014-06-04
_audit_creation_method           
;
  Olex2 1.2
  (compiled Mar 21 2013 11:16:32, GUI svn.r4446)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
Bis[aquatri(dimethylaminoethanolato)yttrium dicopper(II) triacetate] toluene sovate
;
_chemical_formula_moiety         '0.25(C39.6 H82 Cu4 N6 O23.69 Y2), 0.5(C7 H8)'
_chemical_formula_sum            'C13.40 H24.50 Cl0 Cu N1.50 O5.92 Y0.50'
_chemical_formula_weight         409.40
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4934(3)
_cell_length_b                   13.2045(4)
_cell_length_c                   14.6990(5)
_cell_angle_alpha                76.486(2)
_cell_angle_beta                 85.811(2)
_cell_angle_gamma                83.394(2)
_cell_volume                     1777.66(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    42424
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      1.43
_cell_measurement_theta_min      27.99
_exptl_absorpt_coefficient_mu    2.862
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             845
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.32
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            42424
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.993
_diffrn_reflns_theta_min         1.426
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7285
_reflns_number_total             8534
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    ?
_refine_diff_density_max         0.956
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         8534
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0296
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0358P)²+1.6395P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0808
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C13) = Uanis(O1A)
3. Others
 Fixed Sof: O4(0.8) O5(0.8) O1A(0.2) C13(0.8)
4.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C5(H5A,H5B), C6(H6A,H6B), C9(H9A,H9B), C10(H10A,H10B)
4.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C23(H23), C24(H24), C25(H25), C26(H26)
4.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C11(H11A,
 H11B,H11C), C12(H12C,H12D,H12E), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C),
 C20(H20A,H20B,H20C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.54862(2) 0.83466(2) 0.10228(2) 0.01655(6) Uani 1 1 d . . . . .
Cu1 Cu 0.60602(3) 0.80517(2) 0.32708(2) 0.01654(7) Uani 1 1 d . . . . .
Cu2 Cu 0.70879(3) 0.61600(2) 0.22898(2) 0.01844(7) Uani 1 1 d . . . . .
O1 O 0.46505(16) 0.77251(12) 0.25180(11) 0.0192(3) Uani 1 1 d . . . . .
O2 O 0.73191(16) 0.76788(12) 0.22358(11) 0.0177(3) Uani 1 1 d . . . . .
O3 O 0.64522(17) 0.66764(12) 0.10273(11) 0.0203(3) Uani 1 1 d . . . . .
O4 O 0.6310(2) 0.65239(14) 0.43620(13) 0.0182(4) Uani 0.8 1 d . . P A 1
O5 O 0.7731(2) 0.55377(13) 0.35457(12) 0.0134(4) Uani 0.8 1 d . . P A 1
O6 O 0.33260(18) 0.75487(13) 0.07908(11) 0.0230(3) Uani 1 1 d . . . . .
O7 O 0.46106(17) 0.82613(13) -0.04523(11) 0.0206(3) Uani 1 1 d . . . . .
O8 O 0.74705(18) 0.85843(13) 0.38845(12) 0.0242(4) Uani 1 1 d . . . . .
O9 O 0.7456(3) 1.01669(16) 0.29193(16) 0.0525(9) Uani 1.044(8) 1 d . . . . .
O10 O 0.74570(19) 0.88421(14) 0.00425(12) 0.0267(4) Uani 1 1 d . . . . .
O11 O 0.37088(19) 0.97062(14) 0.07364(15) 0.0328(4) Uani 1 1 d . . . . .
O12 O 0.6054(2) 0.97839(14) 0.15846(13) 0.0286(4) Uani 1 1 d . . . . .
H12A H 0.650(3) 0.989(2) 0.197(2) 0.034 Uiso 1 1 d . U . . .
H12B H 0.569(3) 1.039(3) 0.130(2) 0.034 Uiso 1 1 d . U . . .
O1A O 0.6948(10) 0.5946(7) 0.3978(6) 0.0170(6) Uani 0.2 1 d . . P A 2
N1 N 0.4333(2) 0.85473(16) 0.40328(14) 0.0227(4) Uani 1 1 d . . . . .
N2 N 0.9480(2) 0.61099(15) 0.17639(14) 0.0223(4) Uani 1 1 d . . . . .
N3 N 0.5911(2) 0.49325(16) 0.23447(16) 0.0294(5) Uani 1 1 d . . . . .
C1 C 0.3246(3) 0.7809(2) 0.28977(17) 0.0242(5) Uani 1 1 d . . . . .
H1A H 0.2774 0.7213 0.2843 0.029 Uiso 1 1 calc R U . . .
H1B H 0.2722 0.8441 0.2556 0.029 Uiso 1 1 calc R U . . .
C2 C 0.3277(3) 0.7841(2) 0.39221(17) 0.0252(5) Uani 1 1 d . . . . .
H2A H 0.2344 0.8093 0.4143 0.030 Uiso 1 1 calc R U . . .
H2B H 0.3528 0.7142 0.4294 0.030 Uiso 1 1 calc R U . . .
C3 C 0.3858(3) 0.9651(2) 0.3604(2) 0.0323(6) Uani 1 1 d . . . . .
H3A H 0.2972 0.9855 0.3903 0.048 Uiso 1 1 calc R U . . .
H3B H 0.3736 0.9726 0.2948 0.048 Uiso 1 1 calc R U . . .
H3C H 0.4558 1.0090 0.3683 0.048 Uiso 1 1 calc R U . . .
C4 C 0.4563(3) 0.8435(2) 0.50348(18) 0.0326(6) Uani 1 1 d . . . . .
H4A H 0.5281 0.8867 0.5098 0.049 Uiso 1 1 calc R U . . .
H4B H 0.4864 0.7717 0.5312 0.049 Uiso 1 1 calc R U . . .
H4C H 0.3693 0.8649 0.5346 0.049 Uiso 1 1 calc R U . . .
C5 C 0.8786(2) 0.78484(19) 0.21447(17) 0.0223(5) Uani 1 1 d . . . . .
H5A H 0.9200 0.7616 0.2752 0.027 Uiso 1 1 calc R U . . .
H5B H 0.8879 0.8591 0.1923 0.027 Uiso 1 1 calc R U . . .
C6 C 0.9577(3) 0.72551(18) 0.14634(17) 0.0230(5) Uani 1 1 d . . . . .
H6A H 0.9187 0.7514 0.0850 0.028 Uiso 1 1 calc R U . . .
H6B H 1.0567 0.7387 0.1408 0.028 Uiso 1 1 calc R U . . .
C7 C 1.0503(3) 0.5624(2) 0.2481(2) 0.0318(6) Uani 1 1 d . . . . .
H7A H 1.1444 0.5766 0.2238 0.048 Uiso 1 1 calc R U . . .
H7B H 1.0451 0.4881 0.2648 0.048 Uiso 1 1 calc R U . . .
H7C H 1.0282 0.5907 0.3025 0.048 Uiso 1 1 calc R U . . .
C8 C 0.9810(3) 0.5638(2) 0.0949(2) 0.0337(6) Uani 1 1 d . . . . .
H8A H 0.9144 0.5943 0.0475 0.051 Uiso 1 1 calc R U . . .
H8B H 0.9748 0.4897 0.1138 0.051 Uiso 1 1 calc R U . . .
H8C H 1.0754 0.5766 0.0701 0.051 Uiso 1 1 calc R U . . .
C9 C 0.5942(3) 0.5868(2) 0.07001(19) 0.0286(6) Uani 1 1 d . . . . .
H9A H 0.6731 0.5416 0.0508 0.034 Uiso 1 1 calc R U . . .
H9B H 0.5363 0.6163 0.0166 0.034 Uiso 1 1 calc R U . . .
C10 C 0.5058(3) 0.5243(2) 0.1501(2) 0.0389(7) Uani 1 1 d . . . . .
H10A H 0.4195 0.5667 0.1628 0.047 Uiso 1 1 calc R U . . .
H10B H 0.4798 0.4625 0.1331 0.059(11) Uiso 1 1 calc R . . . .
C11 C 0.6841(3) 0.3965(2) 0.2385(3) 0.0432(7) Uani 1 1 d . . . . .
H11A H 0.7456 0.4035 0.1830 0.065 Uiso 1 1 calc R U . . .
H11B H 0.6278 0.3396 0.2424 0.065 Uiso 1 1 calc R U . . .
H11C H 0.7402 0.3826 0.2926 0.065 Uiso 1 1 calc R U . . .
C12 C 0.4907(3) 0.4776(2) 0.3193(2) 0.0438(8) Uani 1 1 d . . . . .
H12C H 0.4350 0.5426 0.3213 0.066 Uiso 1 1 calc R U . . .
H12D H 0.5438 0.4542 0.3747 0.066 Uiso 1 1 calc R U . . .
H12E H 0.4290 0.4260 0.3159 0.066 Uiso 1 1 calc R U . . .
C13 C 0.7270(3) 0.5792(2) 0.4322(2) 0.0170(6) Uani 0.8 1 d . . P A 1
C14 C 0.7896(4) 0.5141(2) 0.5194(2) 0.0438(8) Uani 1 1 d . . . . .
C15 C 0.3476(3) 0.78754(18) -0.00796(17) 0.0208(5) Uani 1 1 d . . . . .
C16 C 0.2302(3) 0.7838(2) -0.07070(19) 0.0328(6) Uani 1 1 d . . . . .
H16A H 0.2566 0.8161 -0.1343 0.049 Uiso 1 1 calc R U . . .
H16B H 0.1445 0.8206 -0.0512 0.049 Uiso 1 1 calc R U . . .
H16C H 0.2149 0.7122 -0.0666 0.049 Uiso 1 1 calc R U . . .
C17 C 0.7905(3) 0.94873(19) 0.35918(18) 0.0255(5) Uani 1 1 d . . . . .
C18 C 0.9084(3) 0.9720(2) 0.4126(2) 0.0349(6) Uani 1 1 d . . . . .
H18A H 0.9963 0.9354 0.3960 0.052 Uiso 1 1 calc R U . . .
H18B H 0.8872 0.9495 0.4786 0.052 Uiso 1 1 calc R U . . .
H18C H 0.9165 1.0459 0.3970 0.052 Uiso 1 1 calc R U . . .
C19 C 0.7417(2) 0.97003(18) -0.05433(16) 0.0199(5) Uani 1 1 d . . . . .
C20 C 0.8777(3) 1.0039(2) -0.1048(2) 0.0338(6) Uani 1 1 d . . . . .
H20A H 0.8846 0.9880 -0.1656 0.051 Uiso 1 1 calc R U . . .
H20B H 0.9567 0.9675 -0.0695 0.051 Uiso 1 1 calc R U . . .
H20C H 0.8787 1.0780 -0.1117 0.051 Uiso 1 1 calc R U . . .
C21 C 0.9184(3) 0.74410(19) 0.65747(19) 0.0283(5) Uani 1 1 d . . . . .
C22 C 0.7744(3) 0.7523(2) 0.6449(2) 0.0325(6) Uani 1 1 d . . . . .
H22 H 0.7426 0.7479 0.5877 0.039 Uiso 1 1 calc R U . . .
C23 C 0.6770(3) 0.7670(2) 0.7168(2) 0.0401(7) Uani 1 1 d . . . . .
H23 H 0.5803 0.7732 0.7072 0.048 Uiso 1 1 calc R U . . .
C24 C 0.7223(4) 0.7725(2) 0.8025(2) 0.0418(7) Uani 1 1 d . . . . .
H24 H 0.6566 0.7805 0.8510 0.050 Uiso 1 1 calc R U . . .
C25 C 0.8656(4) 0.7659(2) 0.8155(2) 0.0431(7) Uani 1 1 d . . . . .
H25 H 0.8969 0.7698 0.8729 0.052 Uiso 1 1 calc R U . . .
C26 C 0.9626(3) 0.7535(2) 0.7433(2) 0.0370(6) Uani 1 1 d . . . . .
H26 H 1.0590 0.7514 0.7521 0.044 Uiso 1 1 calc R U . . .
C27 C 1.0242(3) 0.7235(2) 0.5810(2) 0.0408(7) Uani 1 1 d . . . . .
H27A H 0.9768 0.7344 0.5235 0.061 Uiso 1 1 calc R U . . .
H27B H 1.0667 0.6525 0.5976 0.061 Uiso 1 1 calc R U . . .
H27C H 1.0965 0.7704 0.5731 0.061 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 Cu1 3.3136(4) . ?
Y1 Cu2 3.3177(4) . ?
Y1 O1 2.2770(16) . ?
Y1 O2 2.5198(16) . ?
Y1 O3 2.2877(16) . ?
Y1 O6 2.4898(16) . ?
Y1 O7 2.4091(16) . ?
Y1 O10 2.3349(17) . ?
Y1 O11 2.3024(18) . ?
Y1 O12 2.3679(17) . ?
Y1 C15 2.802(2) . ?
Cu1 O1 1.9426(15) . ?
Cu1 O2 1.9836(15) . ?
Cu1 O4 2.2654(19) . ?
Cu1 O8 1.9469(16) . ?
Cu1 N1 2.049(2) . ?
Cu2 O2 2.0250(15) . ?
Cu2 O3 1.9366(16) . ?
Cu2 O5 1.9484(18) . ?
Cu2 O1A 2.426(9) . ?
Cu2 N2 2.344(2) . ?
Cu2 N3 2.055(2) . ?
O1 C1 1.410(3) . ?
O2 C5 1.428(3) . ?
O3 C9 1.414(3) . ?
O4 C13 1.258(4) . ?
O5 C13 1.296(4) . ?
O6 C15 1.254(3) . ?
O7 C15 1.276(3) . ?
O8 C17 1.275(3) . ?
O9 C17 1.234(3) . ?
O10 C19 1.251(3) . ?
O11 C19 1.259(3) 2_675 ?
N1 C2 1.487(3) . ?
N1 C3 1.479(3) . ?
N1 C4 1.475(3) . ?
N2 C6 1.485(3) . ?
N2 C7 1.468(3) . ?
N2 C8 1.474(3) . ?
N3 C10 1.481(4) . ?
N3 C11 1.459(3) . ?
N3 C12 1.502(4) . ?
C1 C2 1.519(3) . ?
C5 C6 1.517(3) . ?
C9 C10 1.527(4) . ?
C13 C14 1.488(4) . ?
C15 C16 1.510(3) . ?
C17 C18 1.511(3) . ?
C19 O11 1.259(3) 2_675 ?
C19 C20 1.502(3) . ?
C21 C22 1.382(4) . ?
C21 C26 1.395(4) . ?
C21 C27 1.503(4) . ?
C22 C23 1.387(4) . ?
C23 C24 1.380(5) . ?
C24 C25 1.378(5) . ?
C25 C26 1.379(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu1 Y1 Cu2 57.544(8) . . ?
O1 Y1 Cu1 34.80(4) . . ?
O1 Y1 Cu2 60.92(4) . . ?
O1 Y1 O2 63.51(5) . . ?
O1 Y1 O3 87.53(6) . . ?
O1 Y1 O6 77.30(5) . . ?
O1 Y1 O7 130.66(6) . . ?
O1 Y1 O10 146.39(6) . . ?
O1 Y1 O11 93.37(7) . . ?
O1 Y1 O12 85.10(6) . . ?
O1 Y1 C15 103.79(6) . . ?
O2 Y1 Cu1 36.67(3) . . ?
O2 Y1 Cu2 37.55(3) . . ?
O2 Y1 C15 147.76(6) . . ?
O3 Y1 Cu1 92.12(4) . . ?
O3 Y1 Cu2 34.63(4) . . ?
O3 Y1 O2 67.37(5) . . ?
O3 Y1 O6 79.89(6) . . ?
O3 Y1 O7 83.31(5) . . ?
O3 Y1 O10 84.57(6) . . ?
O3 Y1 O11 153.20(6) . . ?
O3 Y1 O12 137.43(6) . . ?
O3 Y1 C15 83.24(6) . . ?
O6 Y1 Cu1 112.07(4) . . ?
O6 Y1 Cu2 95.28(4) . . ?
O6 Y1 O2 128.78(5) . . ?
O6 Y1 C15 26.59(6) . . ?
O7 Y1 Cu1 165.26(4) . . ?
O7 Y1 Cu2 117.26(4) . . ?
O7 Y1 O2 147.77(5) . . ?
O7 Y1 O6 53.37(5) . . ?
O7 Y1 C15 27.03(6) . . ?
O10 Y1 Cu1 112.89(4) . . ?
O10 Y1 Cu2 96.55(4) . . ?
O10 Y1 O2 83.36(6) . . ?
O10 Y1 O6 132.72(6) . . ?
O10 Y1 O7 80.73(6) . . ?
O10 Y1 O12 79.03(7) . . ?
O10 Y1 C15 107.61(7) . . ?
O11 Y1 Cu1 103.81(5) . . ?
O11 Y1 Cu2 154.07(5) . . ?
O11 Y1 O2 136.06(6) . . ?
O11 Y1 O6 74.22(6) . . ?
O11 Y1 O7 75.83(6) . . ?
O11 Y1 O10 108.05(7) . . ?
O11 Y1 O12 69.22(7) . . ?
O11 Y1 C15 70.51(6) . . ?
O12 Y1 Cu1 59.93(5) . . ?
O12 Y1 Cu2 108.83(5) . . ?
O12 Y1 O2 71.86(6) . . ?
O12 Y1 O6 138.14(6) . . ?
O12 Y1 O7 131.23(6) . . ?
O12 Y1 C15 139.17(7) . . ?
C15 Y1 Cu1 138.59(5) . . ?
C15 Y1 Cu2 110.23(5) . . ?
O1 Cu1 Y1 41.99(5) . . ?
O1 Cu1 O2 80.35(6) . . ?
O1 Cu1 O4 99.68(7) . . ?
O1 Cu1 O8 171.16(7) . . ?
O1 Cu1 N1 84.33(7) . . ?
O2 Cu1 Y1 49.34(5) . . ?
O2 Cu1 O4 100.35(7) . . ?
O2 Cu1 N1 162.90(7) . . ?
O4 Cu1 Y1 126.79(5) . . ?
O8 Cu1 Y1 131.10(5) . . ?
O8 Cu1 O2 97.76(7) . . ?
O8 Cu1 O4 89.15(7) . . ?
O8 Cu1 N1 96.22(7) . . ?
N1 Cu1 Y1 113.62(6) . . ?
N1 Cu1 O4 89.63(8) . . ?
O2 Cu2 Y1 49.32(4) . . ?
O2 Cu2 O1A 85.6(2) . . ?
O2 Cu2 N2 83.19(6) . . ?
O2 Cu2 N3 153.52(8) . . ?
O3 Cu2 Y1 42.17(5) . . ?
O3 Cu2 O2 84.85(6) . . ?
O3 Cu2 O5 175.83(7) . . ?
O3 Cu2 O1A 155.7(2) . . ?
O3 Cu2 N2 92.11(7) . . ?
O3 Cu2 N3 85.57(8) . . ?
O5 Cu2 Y1 141.76(5) . . ?
O5 Cu2 O2 99.25(7) . . ?
O5 Cu2 N2 87.66(7) . . ?
O5 Cu2 N3 91.01(8) . . ?
O1A Cu2 Y1 117.3(2) . . ?
N2 Cu2 Y1 106.09(5) . . ?
N2 Cu2 O1A 108.9(2) . . ?
N3 Cu2 Y1 109.86(6) . . ?
N3 Cu2 O1A 93.2(2) . . ?
N3 Cu2 N2 121.81(8) . . ?
Cu1 O1 Y1 103.21(7) . . ?
C1 O1 Y1 128.83(14) . . ?
C1 O1 Cu1 114.53(13) . . ?
Cu1 O2 Y1 93.99(6) . . ?
Cu1 O2 Cu2 105.54(7) . . ?
Cu2 O2 Y1 93.13(6) . . ?
C5 O2 Y1 127.22(13) . . ?
C5 O2 Cu1 121.49(13) . . ?
C5 O2 Cu2 110.56(13) . . ?
Cu2 O3 Y1 103.20(6) . . ?
C9 O3 Y1 131.23(15) . . ?
C9 O3 Cu2 110.66(15) . . ?
C13 O4 Cu1 124.27(18) . . ?
C13 O5 Cu2 127.78(18) . . ?
C15 O6 Y1 90.72(13) . . ?
C15 O7 Y1 93.89(13) . . ?
C17 O8 Cu1 123.95(16) . . ?
C19 O10 Y1 121.47(16) . . ?
C19 O11 Y1 167.42(16) 2_675 . ?
C2 N1 Cu1 101.75(13) . . ?
C3 N1 Cu1 109.33(16) . . ?
C3 N1 C2 111.1(2) . . ?
C4 N1 Cu1 114.79(16) . . ?
C4 N1 C2 110.1(2) . . ?
C4 N1 C3 109.6(2) . . ?
C6 N2 Cu2 98.24(13) . . ?
C7 N2 Cu2 115.43(16) . . ?
C7 N2 C6 110.71(19) . . ?
C7 N2 C8 108.5(2) . . ?
C8 N2 Cu2 114.42(16) . . ?
C8 N2 C6 109.0(2) . . ?
C10 N3 Cu2 105.47(16) . . ?
C10 N3 C12 108.1(2) . . ?
C11 N3 Cu2 110.36(18) . . ?
C11 N3 C10 113.4(2) . . ?
C11 N3 C12 108.2(2) . . ?
C12 N3 Cu2 111.32(16) . . ?
O1 C1 C2 109.02(19) . . ?
N1 C2 C1 109.77(19) . . ?
O2 C5 C6 110.56(18) . . ?
N2 C6 C5 112.32(19) . . ?
O3 C9 C10 107.7(2) . . ?
N3 C10 C9 108.7(2) . . ?
O4 C13 O5 123.1(3) . . ?
O4 C13 C14 120.4(3) . . ?
O5 C13 C14 116.5(3) . . ?
O6 C15 Y1 62.69(12) . . ?
O6 C15 O7 120.9(2) . . ?
O6 C15 C16 120.5(2) . . ?
O7 C15 Y1 59.08(11) . . ?
O7 C15 C16 118.6(2) . . ?
C16 C15 Y1 169.28(17) . . ?
O8 C17 C18 115.7(2) . . ?
O9 C17 O8 125.9(2) . . ?
O9 C17 C18 118.4(2) . . ?
O10 C19 O11 123.3(2) . 2_675 ?
O10 C19 C20 118.5(2) . . ?
O11 C19 C20 118.1(2) 2_675 . ?
C22 C21 C26 118.3(3) . . ?
C22 C21 C27 120.6(3) . . ?
C26 C21 C27 121.2(3) . . ?
C21 C22 C23 120.5(3) . . ?
C24 C23 C22 120.6(3) . . ?
C25 C24 C23 119.4(3) . . ?
C24 C25 C26 120.1(3) . . ?
C25 C26 C21 121.1(3) . . ?

_shelx_estimated_absorpt_T_max   0.461
_shelx_estimated_absorpt_T_min   0.434
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
